methyl 3-(2-fluoro-4-methylphenyl)-5-(1,3-thiazol-5-yl)benzoate

C18H14FNO2S — CID 59432580

IUPACmethyl 3-(2-fluoro-4-methylphenyl)-5-(1,3-thiazol-5-yl)benzoate
SMILESCOC(=O)c1cc(-c2cncs2)cc(-c2ccc(C)cc2F)c1
InChIInChI=1S/C18H14FNO2S/c1-11-3-4-15(16(19)5-11)12-6-13(17-9-20-10-23-17)8-14(7-12)18(21)22-2/h3-10H,1-2H3
InChIKeyBDGXMSJNQCKEGP-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.71
Rot. Bonds3

About methyl 3-(2-fluoro-4-methylphenyl)-5-(1,3-thiazol-5-yl)benzoate

methyl 3-(2-fluoro-4-methylphenyl)-5-(1,3-thiazol-5-yl)benzoate (PubChem CID 59432580) has the molecular formula C18H14FNO2S and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl 3-(2-fluoro-4-methylphenyl)-5-(1,3-thiazol-5-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(2-fluoro-4-methylphenyl)-5-(1,3-thiazol-5-yl)benzoate
PubChem CID59432580
Molecular FormulaC18H14FNO2S
Molecular Weight327.38 g/mol
Exact Mass327.07
IUPAC Namemethyl 3-(2-fluoro-4-methylphenyl)-5-(1,3-thiazol-5-yl)benzoate
SMILESCOC(=O)c1cc(-c2cncs2)cc(-c2ccc(C)cc2F)c1
InChIInChI=1S/C18H14FNO2S/c1-11-3-4-15(16(19)5-11)12-6-13(17-9-20-10-23-17)8-14(7-12)18(21)22-2/h3-10H,1-2H3
InChIKeyBDGXMSJNQCKEGP-UHFFFAOYSA-N
XLogP4.71
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Sodium 5-[2-(1,3-thiazol-5-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-1-carboxylate
CID 23685134
sodium 2-(1,3-thiazol-5-ylmethyl)-2,3-dihydro-1H-indene-5-carboxylate
CID 23685135
Sodium 6-(1,3-thiazol-5-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 23685136
3-[2-[[3-(2,6-Dimethylphenyl)phenyl]methoxy]-1,3-thiazol-5-yl]propanoic acid
CID 90644289
1,3-Thiazol-5-ylmethyl benzenecarboxylate
CID 1488956
1,3-Thiazol-5-ylmethyl 3-methylbenzenecarboxylate
CID 1488964
(2-Chloro-1,3-thiazol-5-yl)methyl 3-methylbenzoate
CID 1479747
3-(Thiazol-5-yl)benzoic acid
CID 66851047
US9969726, Example 3
CID 118577120
4-(5-Thiazolyl)benzoic acid
CID 66953142
Ethyl 4-(1,3-thiazol-5-yl)benzoate
CID 68117249
4-[4-[[3-Cyclohexyl-1-(1,3-thiazol-5-yl)propoxy]methyl]-2-methylphenyl]-2-fluorobenzoic acid
CID 11960984

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-fluoro-4-methylphenyl)-5-(1,3-thiazol-5-yl)benzoate?
The IUPAC name of methyl 3-(2-fluoro-4-methylphenyl)-5-(1,3-thiazol-5-yl)benzoate (CID 59432580) is methyl 3-(2-fluoro-4-methylphenyl)-5-(1,3-thiazol-5-yl)benzoate.
What is the SMILES notation for methyl 3-(2-fluoro-4-methylphenyl)-5-(1,3-thiazol-5-yl)benzoate?
The canonical SMILES for methyl 3-(2-fluoro-4-methylphenyl)-5-(1,3-thiazol-5-yl)benzoate is COC(=O)c1cc(-c2cncs2)cc(-c2ccc(C)cc2F)c1.
What is the InChIKey of methyl 3-(2-fluoro-4-methylphenyl)-5-(1,3-thiazol-5-yl)benzoate?
The InChIKey is BDGXMSJNQCKEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO2S/c1-11-3-4-15(16(19)5-11)12-6-13(17-9-20-10-23-17)8-14(7-12)18(21)22-2/h3-10H,1-2H3.
What are the key properties of methyl 3-(2-fluoro-4-methylphenyl)-5-(1,3-thiazol-5-yl)benzoate?
methyl 3-(2-fluoro-4-methylphenyl)-5-(1,3-thiazol-5-yl)benzoate has a molecular weight of 327.38 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-fluoro-4-methylphenyl)-5-(1,3-thiazol-5-yl)benzoate is sourced from PubChem (CID 59432580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).